2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one

C13H13F3O — CID 122215213

IUPAC2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
SMILESO=C1CCCC1(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F3O/c14-13(15,16)9-12(8-4-7-11(12)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyLKERYDDDFBVJNR-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.63
Rot. Bonds2

About 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one

2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one (PubChem CID 122215213) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
PubChem CID122215213
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
SMILESO=C1CCCC1(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F3O/c14-13(15,16)9-12(8-4-7-11(12)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyLKERYDDDFBVJNR-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
The IUPAC name of 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one (CID 122215213) is 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one.
What is the SMILES notation for 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
The canonical SMILES for 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one is O=C1CCCC1(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
The InChIKey is LKERYDDDFBVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c14-13(15,16)9-12(8-4-7-11(12)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one?
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one has a molecular weight of 242.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one is sourced from PubChem (CID 122215213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).